2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide

C17H18N4O2S — CID 110281084

IUPAC2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1C
InChIInChI=1S/C17H18N4O2S/c1-11-8-13(3)16(9-12(11)2)24(22,23)21-17-10-15(19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H2,19,20,21)
InChIKeyJLQQDDKNMPEWTN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.20
Rot. Bonds4

About 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide

2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 110281084) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID110281084
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1C
InChIInChI=1S/C17H18N4O2S/c1-11-8-13(3)16(9-12(11)2)24(22,23)21-17-10-15(19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H2,19,20,21)
InChIKeyJLQQDDKNMPEWTN-UHFFFAOYSA-N
XLogP3.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
2,4,5-trimethyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873699
2,4,5-trimethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873736
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 86807266
4-amino-2-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616923
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide (CID 110281084) is 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is JLQQDDKNMPEWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-8-13(3)16(9-12(11)2)24(22,23)21-17-10-15(19-20-17)14-4-6-18-7-5-14/h4-10H,1-3H3,(H2,19,20,21).
What are the key properties of 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide?
2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 110281084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).